In the structure of the title salt, (C(7)H(12)N(6))[VOF(5)], second-order Jahn-Teller distortion of the coordination octa-hedra around V ions is reflected by coexistence of short V-O bonds [1.5767â (12)â à ] and trans-positioned long V-F bonds [2.0981â (9)â à ], with four equatorial V-F distances being inter-mediate in magnitude [1.7977â (9)-1.8913â (9)â à ]. Hydrogen bonding of the anions is restricted to F-atom acceptors only, with particularly strong N-Hâ¯F inter-actions [Nâ¯F = 2.5072â (15)â à ] established by axial and cis-positioned equatorial F atoms. Hirshfeld surface analysis indicates that the most important inter-actions are overwhelmingly Hâ¯F/Fâ¯H, accounting for 74.4 and 36.8% of the contacts for the individual anions and cations, respectively. Weak CHâ¯F and CHâ¯N bonds are essential for generation of three-dimensional structure.
Crystal structure and Hirshfeld surface analysis of 4,4'-(propane-1,3-diyl)bis(4H-1,2,4-triazol-1-ium) penta-fluorido-oxidovanadate(V).
4,4'-(丙烷-1,3-二基)双(4H-1,2,4-三唑-1-鎓)五氟氧化钒(V)的晶体结构和Hirshfeld表面分析
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作者:Senchyk Ganna A, Lysenko Andrey B, Krautscheid Harald, Domasevitch Kostiantyn V
| 期刊: | Acta Crystallographica Section E: Crystallographic Communications | 影响因子: | 0.500 |
| 时间: | 2020 | 起止号: | 2020 May 1; 76(Pt 6):780-784 |
| doi: | 10.1107/S205698902000585X | ||
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